Jacob Jinsa Mary, Sithambaresan M, Kurup M R Prathapachandra
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1871-2. doi: 10.1107/S1600536812022520. Epub 2012 May 23.
The title compound, C(15)H(14)BrN(3)O(2)S, adopts an E,E conformation with respect to the azomethine and hydrazinic bonds and exists in the thio-amide form. The two rings in the mol-ecule are twisted away from each other, making a dihedral angle of 69.13 (13)°. In the crystal, mol-ecules are linked through pairs of N-H⋯O and O-H⋯S hydrogen bonds, leading to the formation of inversion dimers which are stacked along the a axis. Intra-molecular N-H⋯N, O-H⋯O and C-H⋯π inter-actions are also present.
标题化合物C(15)H(14)BrN(3)O(2)S,关于偶氮甲碱键和肼键呈E,E构象,且以硫代酰胺形式存在。分子中的两个环相互扭曲,二面角为69.13 (13)°。在晶体中,分子通过N-H⋯O和O-H⋯S氢键对相连,形成沿a轴堆叠的反演二聚体。还存在分子内N-H⋯N、O-H⋯O和C-H⋯π相互作用。